Dataset for publication: Supporting the assignment of NMR spectra with variable-temperature experiments

1. The raw one- and two-dimensional NMR data for Products (1-7) listed in the article (Agilent 700 MHz). 2. The raw 1D variable-temperature NMR data for Products 1-7 (Agilent 700 MHz). 3. The 1D variable-temperature NMR data converted into a Bruker format to open in the Radon peak-picker, Radon peak-picker Python script (picker.py), and trained neural network model (model) folder. To open the Radon peak-picker see the Manual from: https://doi.org/10.1016/j.jmro.2022.100083

Related Organizations

University of Warsaw
Poland

Keywords

anthracene, chalcone, variable-temperature NMR, Radon transform

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